SCHEMBL4048034

SCHEMBL4048034

CCC(CC)C(c1ccc(N(C(N)=S)c2nc3ccccc3s2)cc1)n1ccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 11/20 0.49
CYP3A4 P08684 3/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2C8 P10632 2/20 0.49
CYP26B1 Q9NR63 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
CYP17A1 P05093 2/20 0.36
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
QPCT Q16769 1/20 0.34
IDO1 P14902 3/20 0.33
SLC6A3 Q01959 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4048032 0.81 CYP26A1 (0.46) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
SCHEMBL5124053 0.78 CYP26A1 (0.49) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
SCHEMBL4987125 0.78 CYP26A1 (0.73) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
SCHEMBL5124051 0.77 CYP26A1 (0.56) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
SCHEMBL5124047 0.71 CYP26A1 (0.51) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
SCHEMBL4982977 0.71 CYP26A1 (0.65) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
SCHEMBL5566007 0.70 CYP17A1 (0.43) CYP26A1CYP17A1
SCHEMBL5566011 0.70 CYP17A1 (0.40) CYP26A1CYP3A4CYP17A1
SCHEMBL14835769 0.69 RAB9A (0.50) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
SCHEMBL14836024 0.68 CYP17A1 (0.47) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579352-B2 Retinoic acid mimetic anilides JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-25 US disclosed
EP-1037880-A1 RETINOIC ACID MIMETIC ANILIDES JANSSEN PHARMACEUTICA N.V. (BE) 2000-09-27 EP disclosed
WO-1999029674-A1 RETINOIC ACID MIMETIC ANILIDES JANSSEN PHARMACEUTICA N.V. (BE) 1999-06-17 WO disclosed